SCHEMBL29112780

SCHEMBL29112780

CCCCc1cc(C)cc(CCCC)c1O.[AlH3]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
HTT P42858 3/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX5 P09917 5/20 0.44
PTGS2 P35354 3/20 0.43
EGFR P00533 1/20 0.43
AMY1A P0DUB6 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL280118 0.98 TYR (0.48) TYRHTTNPC1HPGDMAPK1
SCHEMBL28665182 0.96 TYR (0.47) TYRHTTNPC1HPGDMAPK1
SCHEMBL28181639 0.94 TYR (0.46) TYRHTTNPC1HPGDMAPK1
SCHEMBL1023112 0.94 TYR (0.46) TYRHTTNPC1HPGDMAPK1
SCHEMBL11157515 0.92 AMY1A (0.53) TYRHTTNPC1HPGDMAPK1
SCHEMBL1023755 0.92 HTT (0.46) TYRHTTNPC1HPGDMAPK1
SCHEMBL29366604 0.92 AMY1A (0.53) TYRHTTNPC1HPGDMAPK1
SCHEMBL1141588 0.92 AMY1A (0.53) TYRHTTNPC1HPGDMAPK1
SCHEMBL11775837 0.91 ALOX5 (0.53) TYRHTTSMN1; SMN2MAPTALDH1A1
SCHEMBL11603043 0.90 TYR (0.43) TYRHTTNPC1HPGDMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120539-A Resin composition comprising acrylic block copolymer 株式会社可乐丽 2023-11-24 CN disclosed